| SpectraBase Compound ID | HTur66u4M7O |
|---|---|
| InChI | InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-4,7-8H2,1H3 |
| InChIKey | PLADSYVUCFFKFT-UHFFFAOYSA-N |
| Mol Weight | 144.64 g/mol |
| Molecular Formula | C8H13Cl |
| Exact Mass | 144.070578 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5uRoXox8OXf |
|---|---|
| Name | 3-Octyne, 1-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.070578119 u |
| Formula | C8H13Cl |
| InChI | InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-4,7-8H2,1H3 |
| InChIKey | PLADSYVUCFFKFT-UHFFFAOYSA-N |
| Molecular Weight | 144.645 g/mol |
| SMILES | CCCCC#CCCCl |
| Spectrum/Structure Validation Score (Raman) | 0.979615 |